UCSF

ZINC37822828

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.71 4.64 -43.68 2 4 1 40 252.382 6
Lo Low (pH 4.5-6) 0.71 6.9 -93.16 3 4 2 41 253.39 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )